(2-bromoethoxy)cyclopentane

• ChemBase ID: 256389
• Molecular Formular: C7H13BrO
• Molecular Mass: 193.08152
• Monoisotopic Mass: 192.01497704
• SMILES: BrCCOC1CCCC1
• Canonical SMILES: BrCCOC1CCCC1
• InChI: InChI=1S/C7H13BrO/c8-5-6-9-7-3-1-2-4-7/h7H,1-6H2
• InChIKey: QRVITJYOUROISY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethoxy)cyclopentane
• IUPAC Traditional name: (2-bromoethoxy)cyclopentane
• Synonyms: (2-bromoethoxy)cyclopentane

Database IDs

• MDL Number: MFCD09803054
• PubChem SID: 164312299
• PubChem CID: 15752653

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3292365
• LogD (pH = 7.4): 2.3292365
• Log P: 2.3292365
• Molar Refractivity: 41.7525 cm^3
• Polarizability: 16.340782 Å^3
• Polar Surface Area: 9.23 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.016

Product Information

• Purity: 95%